62912-00-9

Basic information

• Product Name: 1-(4-nitro-benzoyloxy)-1H-benzotriazole
• Synonyms: 1-(4-nitro-benzoyloxy)-1H-benzotriazole
• CAS NO: 62912-00-9
• Molecular Weight: 284.231
• Mol File: 62912-00-9.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: 1-(4-nitro-benzoyloxy)-1H-benzotriazole(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-nitro-benzoyloxy)-1H-benzotriazole(62912-00-9)
• EPA Substance Registry System: 1-(4-nitro-benzoyloxy)-1H-benzotriazole(62912-00-9)

Safety Data

• Hazardous Substances Data: 62912-00-9(Hazardous Substances Data)

Upstream product

• 62-23-7 4-nitro-benzoic acid 
• 2592-95-2 benzotriazol-1-ol 
• 56602-33-6 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 

Downstream Products

• 2585-26-4 4-nitro-N-benzylbenzamide 
• 50677-30-0 2-(chloromethyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole 
• 636-97-5 N-amino-(4-nitrophenyl)carboxamide 
• 619-73-8 4-nitrobenzyl chloride 

Relevant articles and documents

Crystal structure of 1-(2,4,6-trichlorobenzoyloxy) benzotriazole (TCB-OBt): observation of uncommon intermolecular oxygen-oxygen interaction and synthetic application in amidation

Herein, we investigated the supramolecular assembly of a modified Yamaguchi reagent TCB-OBt. Interestingly, each molecule is interconnected through novel chalcogen-chalcogen (O?O) interaction, π-π stacking, and aromatic C-H?O interaction. Hirshfeld surface analysis confirmed the existence of uncommon O?O interactions. A well-organized supramolecular layer structure and helical arrangement were observed in the crystal structure. TCB-OBt crystallized in the O-substituted desmotropic form. DFT calculations suggest that the O-substituted form is more stable than theN-substituted form (TCB-(N)-OBt). Morphology analysis indicates the formation of a fantastically well organized, continuous block-shaped system. Furthermore, the designed reagent works as an efficient activating reagent for amide bond formation with good yields under mild reaction conditions. Use of this reagent avoided intractable acid chlorides, and this new mixed-anhydride-based reagent may further be applicable for many other organic transformations.

Microwave irradiation and diisopropylcarbodiimide (DIC)/7-aza-1- hydroxybenzotriazole (HOAt): A potent combination for synthesis of variuos hydrazide from N-protected amino acid and hydrazine

Here we describe a fast and rapid technique for preparation of amino acid hydrazide as well as peptide hydrazide derivatives using diisopropylcarbodiimide (DIC)/1-hydroxybenzotriazoles (HOXt) (X = A or B) under microwave irradiation employing a multimode reactor (Synthos 3000 Aton Paar, GmbH, 1400 W maximum magnetron). A comparison between conventional and microwave irradiation was described. The microwave methodology is rapid, convenient, proceeds under mild conditions. Diisopropylcarbodiimide (DIC)/7-aza-1-hydroxybenzotriazole (HOAt) always gave much better yield (95 - 98%) and purity than diisopropylcarbodiimide (DIC)/1-hydroxybenzotriazole (HOBt).